1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one

C14H26O2 — CID 134485196

IUPAC1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one
SMILESCC(C)CC1CCC(O)(C(=O)C(C)C)CC1
InChIInChI=1S/C14H26O2/c1-10(2)9-12-5-7-14(16,8-6-12)13(15)11(3)4/h10-12,16H,5-9H2,1-4H3
InChIKeyFIGCMPHZYOJQAN-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one

1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one (PubChem CID 134485196) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one
PubChem CID134485196
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one
SMILESCC(C)CC1CCC(O)(C(=O)C(C)C)CC1
InChIInChI=1S/C14H26O2/c1-10(2)9-12-5-7-14(16,8-6-12)13(15)11(3)4/h10-12,16H,5-9H2,1-4H3
InChIKeyFIGCMPHZYOJQAN-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one (CID 134485196) is 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one is CC(C)CC1CCC(O)(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one?
The InChIKey is FIGCMPHZYOJQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)9-12-5-7-14(16,8-6-12)13(15)11(3)4/h10-12,16H,5-9H2,1-4H3.
What are the key properties of 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one?
1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-4-(2-methylpropyl)cyclohexyl]-2-methylpropan-1-one is sourced from PubChem (CID 134485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).